4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline

C15H16Cl2N2O2S — CID 66776917

IUPAC4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)S(=O)(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-19(2)12-6-3-10(4-7-12)15(18)22(20,21)14-8-5-11(16)9-13(14)17/h3-9,15H,18H2,1-2H3
InChIKeyADAGXGKSNKOTLM-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.49
Rot. Bonds4

About 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline

4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline (PubChem CID 66776917) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline
PubChem CID66776917
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC Name4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)S(=O)(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-19(2)12-6-3-10(4-7-12)15(18)22(20,21)14-8-5-11(16)9-13(14)17/h3-9,15H,18H2,1-2H3
InChIKeyADAGXGKSNKOTLM-UHFFFAOYSA-N
XLogP3.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine
CID 66776499
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide
CID 90665335
(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 125424590
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 60986470
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 43956534

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline (CID 66776917) is 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(N)S(=O)(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline?
The InChIKey is ADAGXGKSNKOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-19(2)12-6-3-10(4-7-12)15(18)22(20,21)14-8-5-11(16)9-13(14)17/h3-9,15H,18H2,1-2H3.
What are the key properties of 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline?
4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline has a molecular weight of 359.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,4-dichlorophenyl)sulfonylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 66776917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).